Virtual screening and in silico design of novel inhibitors of bacterial lectins

por Alán, Jan, Kulhánek, Petr, Koča, Jaroslav
Publicado 2012

Selectins—The Two Dr. Jekyll and Mr. Hyde Faces of Adhesion Molecules—A Review

por Tvaroška, Igor, Selvaraj, Chandrabose, Koča, Jaroslav
Publicado 2020

Elastic properties of ribosomal RNA building blocks: molecular dynamics of the GTPase-associated center rRNA

por Rázga, Filip, Koča, Jaroslav, Mokdad, Ali, Šponer, Jiří
Publicado 2007

How Ionic Strength Affects the Conformational Behavior of Human and Rat Beta Amyloids – A Computational Study

por Kříž, Zdeněk, Klusák, Jiří, Krištofíková, Zdena, Koča, Jaroslav
Publicado 2013

Stepwise Catalytic Mechanism via Short-Lived Intermediate Inferred from Combined QM/MM MERP and PES Calculations on Retaining Glycosyltransferase ppGalNAcT2

por Trnka, Tomáš, Kozmon, Stanislav, Tvaroška, Igor, Koča, Jaroslav
Publicado 2015

Catalytic Mechanism of Processive GlfT2: Transition Path Sampling Investigation of Substrate Translocation

por Janoš, Pavel, Tvaroška, Igor, Dellago, Christoph, Koča, Jaroslav
Publicado 2020

TRITON: a graphical tool for ligand-binding protein engineering

por Prokop, Martin, Adam, Jan, Kříž, Zdeněk, Wimmerová, Michaela, Koča, Jaroslav
Publicado 2008

QM quality atomic charges for proteins

por Geidl, Stanislav, Ionescu, Crina-Maria, Vařeková, Radka Svobodová, Koča, Jaroslav
Publicado 2014

ValTrendsDB: bringing Protein Data Bank validation information closer to the user

por Horský, Vladimír, Bendová, Veronika, Toušek, Dominik, Koča, Jaroslav, Svobodová, Radka
Publicado 2019

Electronegativity Equalization Method: Parameterization and Validation for Large Sets of Organic, Organohalogene and Organometal Molecule

por Vařeková, Radka Svobodová, Jiroušková, Zuzana, Vaněk, Jakub, Suchomel, Šimon, Koča, Jaroslav
Publicado 2007

Structural dynamics of possible late-stage intermediates in folding of quadruplex DNA studied by molecular simulations

por Stadlbauer, Petr, Krepl, Miroslav, Cheatham, Thomas E., Koča, Jaroslav, Šponer, Jiří
Publicado 2013

CAVER: a new tool to explore routes from protein clefts, pockets and cavities

por Petřek, Martin, Otyepka, Michal, Banáš, Pavel, Košinová, Pavlína, Koča, Jaroslav, Damborský, Jiří
Publicado 2006

Searching for tunnels of proteins – comparison of approaches and available software tools

por Jaiswal, Deepti, Vařeková, Radka Svobodová, Ionescu, Crina-Maria, Sehnal, David, Koča, Jaroslav
Publicado 2012

Nemesis - a molecular modeling package

por Štěpán, Jakub, Kulhánek, Petr, Lenčo, Milan, Střelcová, Zora, Křenek, Aleš, Koča, Jaroslav
Publicado 2013

Consistency of sugar structures and their annotation in the PDB

por Jaiswal, Deepti, Sehnal, David, Vařeková, Radka Svobodová, Ionescu, Crina-Maria, Koča, Jaroslav
Publicado 2014

PatternQuery: web application for fast detection of biomacromolecular structural patterns in the entire Protein Data Bank

por Sehnal, David, Pravda, Lukáš, Svobodová Vařeková, Radka, Ionescu, Crina-Maria, Koča, Jaroslav
Publicado 2015

Optimized SQE atomic charges for peptides accessible via a web application

por Schindler, Ondřej, Raček, Tomáš, Maršavelski, Aleksandra, Koča, Jaroslav, Berka, Karel, Svobodová, Radka
Publicado 2021

Correction to: Optimized SQE atomic charges for peptides accessible via a web application

por Schindler, Ondřej, Raček, Tomáš, Maršavelski, Aleksandra, Koča, Jaroslav, Berka, Karel, Svobodová, Radka
Publicado 2021

Stacking Interactions between Carbohydrate and Protein Quantified by Combination of Theoretical and Experimental Methods

por Wimmerová, Michaela, Kozmon, Stanislav, Nečasová, Ivona, Mishra, Sushil Kumar, Komárek, Jan, Koča, Jaroslav
Publicado 2012

Uncovering of cytochrome P450 anatomy by SecStrAnnotator

por Midlik, Adam, Navrátilová, Veronika, Moturu, Taraka Ramji, Koča, Jaroslav, Svobodová, Radka, Berka, Karel
Publicado 2021